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CHEBI:209513 - Napyradiomycin SC

ChEBI IDCHEBI:209513
ChEBI NameNapyradiomycin SC
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32Cl2O7
Net Charge0
Average Mass515.430
Monoisotopic Mass514.15251
SMILESCC1(C)O[C@@]2(C[C@H]3C(C)(C)[C@@H](Cl)CC[C@]3(C)O)C(=O)c3cc(O)cc(O)c3C(=O)[C@@]2(O)C[C@H]1Cl
InChIInChI=1S/C25H32Cl2O7/c1-21(2)15(23(5,32)7-6-16(21)26)10-25-19(30)13-8-12(28)9-14(29)18(13)20(31)24(25,33)11-17(27)22(3,4)34-25/h8-9,15-17,28-29,32-33H,6-7,10-11H2,1-5H3/t15-,16-,17+,23-,24-,25-/m0/s1
InChIKeyBLPXOZCSIARXAT-VTQDYBALSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31888028)
ChEBI Ontology
Outgoing Relation(s)
Napyradiomycin SC (CHEBI:209513) is a organic heterotricyclic compound (CHEBI:26979)
Napyradiomycin SC (CHEBI:209513) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,4aR,10aR)-3-chloro-10a-[[(1S,3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-4a,6,8-trihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
Manual XrefsDatabases
81367011ChemSpider